2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]sulfanylethanamide

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-9-[2,3-bis(oxidanyl)propoxymethyl]purin-6-yl]sulfanylethanamide Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylacetamide CAS Name: 2-[[2-[(2-amino-2-oxoethyl)thio]-9-(2,3-dihydroxypropoxymethyl)-6-purinyl]thio]acetamide IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-9-(2,3-dihydroxypropoxymethyl)purin-6-yl]sulfanylacetamide Traditional Name: 2-[[2-[(2-amino-2-keto-ethyl)thio]-9-(glyceryloxymethyl)purin-6-yl]thio]acetamide Formula: C13H18N6O5S2 MolecularWeight: 402.44922

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCC(CO)O)N=C(N=C2SCC(=O)N)SCC(=O)N

Isomeric SMILES

C1=NC2=C(N1COCC(CO)O)N=C(N=C2SCC(=O)N)SCC(=O)N

InChI

InChI=1S/C13H18N6O5S2/c14-8(22)3-25-12-10-11(17-13(18-12)26-4-9(15)23)19(5-16-10)6-24-2-7(21)1-20/h5,7,20-21H,1-4,6H2,(H2,14,22)(H2,15,23)